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tzvp basis [ci skip]

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edoapra 2022-03-08 13:42:45 -08:00
parent 1bc90cb1ff
commit 4b99ed6234
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QA/tests/dft_c2br6_vdw4/dft_c2br6_vdw4.nw
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@ -15,7 +15,7 @@ geometry
end
basis spherical
* library def2-qzvp
* library def2-tzvp
end
dft
@ -24,6 +24,7 @@ dft
xc xtpss03 ctpss03
mult 1
disp vdw 4
convergence energy 1d-8
grid fine
end

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QA/tests/dft_c2br6_vdw4/dft_c2br6_vdw4.out
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